6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

C20H19F2N5O — CID 109372375

IUPAC6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)c(F)c2)cc(C(=O)N(C)CCc2ccncc2)n1
InChIInChI=1S/C20H19F2N5O/c1-13-24-18(20(28)27(2)10-7-14-5-8-23-9-6-14)12-19(25-13)26-15-3-4-16(21)17(22)11-15/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,24,25,26)
InChIKeyLVDDXLKSYBAQFP-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.52
Rot. Bonds6

About 6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109372375) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109372375
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC Name6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)c(F)c2)cc(C(=O)N(C)CCc2ccncc2)n1
InChIInChI=1S/C20H19F2N5O/c1-13-24-18(20(28)27(2)10-7-14-5-8-23-9-6-14)12-19(25-13)26-15-3-4-16(21)17(22)11-15/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,24,25,26)
InChIKeyLVDDXLKSYBAQFP-UHFFFAOYSA-N
XLogP3.52
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372363
N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109372367
2-(3-chloro-4-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309074
N-butyl-6-(4-fluoroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847053
4-(2,6-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214723
2-[4-(dimethylamino)anilino]-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109331284
6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351695
N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109331248
N-butyl-6-[4-(diethylamino)anilino]-N,2-dimethylpyrimidine-4-carboxamide
CID 112847090
N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112847031
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214711
N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847051

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 109372375) is 6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is Cc1nc(Nc2ccc(F)c(F)c2)cc(C(=O)N(C)CCc2ccncc2)n1.
What is the InChIKey of 6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is LVDDXLKSYBAQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c1-13-24-18(20(28)27(2)10-7-14-5-8-23-9-6-14)12-19(25-13)26-15-3-4-16(21)17(22)11-15/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,24,25,26).
What are the key properties of 6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109372375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).